1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine

C14H19NO3S — CID 89331710

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine
SMILESC=C1CCCN1S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C14H19NO3S/c1-10-8-13(18-4)9-11(2)14(10)19(16,17)15-7-5-6-12(15)3/h8-9H,3,5-7H2,1-2,4H3
InChIKeyJFWPAKVRLRTKJV-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.61
Rot. Bonds3

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine (PubChem CID 89331710) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine
PubChem CID89331710
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine
SMILESC=C1CCCN1S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C14H19NO3S/c1-10-8-13(18-4)9-11(2)14(10)19(16,17)15-7-5-6-12(15)3/h8-9H,3,5-7H2,1-2,4H3
InChIKeyJFWPAKVRLRTKJV-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine (CID 89331710) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine is C=C1CCCN1S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine?
The InChIKey is JFWPAKVRLRTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-8-13(18-4)9-11(2)14(10)19(16,17)15-7-5-6-12(15)3/h8-9H,3,5-7H2,1-2,4H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine?
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine has a molecular weight of 281.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine is sourced from PubChem (CID 89331710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).